SCHEMBL8719997

SCHEMBL8719997

CCc1ccc(-c2ccsc2CNC(=O)C=Cc2ccc(C(=O)NC)cc2)c(CC)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 14/20 0.49
HDAC3 O15379 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
NCOR2 Q9Y618 1/20 0.36
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7012869 0.88 BDKRB2 (0.64) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7012866 0.88 BDKRB2 (0.64) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL8719999 0.75 BDKRB2 (0.46) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7014771 0.73 BDKRB2 (0.48) BDKRB2
SCHEMBL7014777 0.73 BDKRB2 (0.48) BDKRB2
SCHEMBL8719661 0.73 BDKRB2 (0.42) BDKRB2
SCHEMBL7010790 0.72 BDKRB2 (0.53) BDKRB2
SCHEMBL7010789 0.72 BDKRB2 (0.53) BDKRB2
SCHEMBL6641008 0.71 BDKRB2 (0.64) BDKRB2
SCHEMBL7012873 0.70 BDKRB2 (0.48) BDKRB2HDAC3HDAC1HDAC2NCOR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed